All Department Publications

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Journal Article

Reddy G, Yethiraj A. The behavior of fluids near solutes: A density functional theory and computer simulation study. Journal of Chemical Physics. 2004;121:4203-4209.

Chang R, Yethiraj A. The behavior of salt-free polyelectrolyte solutions at charged surfaces. Progress in Organic CoatingsProgress in Organic Coatings. 2003;47:331-336.

Chang RW, Yethiraj A. Brownian dynamics simulations of polyelectrolyte solutions with divalent counterions. Journal of Chemical Physics. 2003;118:11315-11325.

Chang RW, Yethiraj A. Brownian dynamics simulations of salt-free polyelectrolyte solutions. Journal of Chemical Physics. 2002;116:5284-5298.

Jagannathan K, Yethiraj A. Comment on "molecular dynamics simulations of a fluid near its critical point" - Jagannathan and Yethiraj reply - art. no. 069602. Physical Review Letters. 2005;9406:9602.

Yethiraj A. Computer simulation study of two-dimensional polymer solutions. MacromoleculesMacromolecules. 2003;36:5854-5862.

Jagannathan K, Yethiraj A. Density functional theory and Monte Carlo simulations for hard sphere fluids in square and rectangular channels. Journal of Chemical Physics. 2002;116:5795-5800.

Patra CN, Yethiraj A. Density functional theory for nonuniform polymers: Accurate treatment of the effect of attractive interactions. Journal of Chemical Physics. 2003;118:4702-4706.

Yethiraj A, Fynewever H, Shew CY. Density functional theory for pair correlation functions in polymeric liquids. Journal of Chemical PhysicsJournal of Chemical Physics. 2001;114:4323-4330.

Chang RW, Jagannathan K, Yethiraj A. Diffusion of hard sphere fluids in disordered media: A molecular dynamics simulation study - art. no. 051101. Physical Review EPhysical Review E. 2004;6905:1101.

Chang RW, Yethiraj A. Dilute solutions of strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. MacromoleculesMacromolecules. 2006;39:821-828.

Jagannathan K, Yethiraj A. Dynamics of fluids near the consolute critical point: A molecular-dynamics study of the Widom-Rowlinson mixture - art. no. 244506. Journal of Chemical Physics. 2005;122:44506.

Shew CY, Yethiraj A. The effect of acid-base equilibria on the fractional charge and conformational properties of polyelectrolyte solutions. Journal of Chemical PhysicsJournal of Chemical Physics. 2001;114:2830-2838.

Cho HW, Kwon G, Sung BJ, Yethiraj A. Effect of Polydispersity on Diffusion in Random Obstacle Matrices. Physical Review Letters. 2012;109.

Miyazaki K, Yethiraj A. Entanglement effects in mode coupling theories of polymers. Journal of Chemical Physics. 2002;117:10448-10451.

Srinivas G, Yethiraj A, Bagchi B. Erratum: "Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain" (vol 114, pg 9170, 2001). Journal of Chemical PhysicsJournal of Chemical Physics. 2001;115:6268-6268.

Yethiraj A, Striolo A. Fracking: What Can Physical Chemistry Offer?. Journal of Physical Chemistry Letters. 2013;4:687-690.

Srinivas G, Yethiraj A, Bagchi B. FRET by FET and dynamics of polymer folding. Journal of Physical Chemistry BJournal of Physical Chemistry B. 2001;105:2475-2478.

Jagannathan K, Reddy G, Yethiraj A. Integral equation theory for symmetric nonadditive hard sphere mixtures. Journal of Physical Chemistry BJournal of Physical Chemistry B. 2005;109:6764-6768.

Shew CY, Yethiraj A. Integral equation theory for the structure of DNA solutions. Journal of Chemical Physics. 2002;116:5308-5314.

Yethiraj A, Sung BJ, Lado F. Integral equation theory for two-dimensional polymer melts - art. no. 094910. Journal of Chemical Physics. 2005;122:94910.

Sung BJ, Yethiraj A. Integral equation theory of random copolymer melts. MacromoleculesMacromolecules. 2005;38:2000-2008.

Sung BJ, Yethiraj A. Integral equation theory of random copolymer melts: Self-consistent treatment of intramolecular and intermolecular correlations - art. no. 234904. Journal of Chemical Physics. 2005;122:34904.

Sung BJ, Yethiraj A. Integral equation theory of randomly coupled multiblock copolymer melts: Effect of block size on the phase behavior - art. no. 214901. Journal of Chemical Physics. 2005;123.

Yethiraj A. Integral equations for polymers in quenched random media. Journal of Chemical Physics. 2002;116:5910-5911.

Reddy G, Lawrence CP, Skinner JL, Yethiraj A. Liquid state theories for the structure of water. Journal of Chemical Physics. 2003;119:13012-13016.

Jagannathan K, Yethiraj A. Molecular dynamics simulations of a fluid near its critical point - art. no. 015701. Physical Review Letters. 2004;9301:5701.

Khare R, de Pablo J, Yethiraj A. Molecular simulation and continuum mechanics investigation of viscoelastic properties of fluids confined to molecularly thin films. Journal of Chemical PhysicsJournal of Chemical Physics. 2001;114:7593-7601.

Sung BJ, Yethiraj A. Molecular-dynamics simulations for nonclassical kinetics of diffusion-controlled bimolecular reactions - art. no. 114503. Journal of Chemical Physics. 2005;123:14503.

Sung BJ, Yethiraj A. Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media - art. no. 074909. Journal of Chemical Physics. 2005;123:74909.

Sung BJ, Yethiraj A. Monte Carlo simulations and integral equation theory for the structure of telechelic polymers. Journal of Chemical Physics. 2003;119:6916-6924.

Jagannathan K, Yethiraj A. Monte Carlo simulations for the phase behavior of symmetric nonadditive hard sphere mixtures. Journal of Chemical Physics. 2003;118:7907-7911.

Jagannathan K, Chang RW, Yethiraj A. A Monte Carlo study of the self-assembly of bacteriorhodopsin. Biophysical Journal. 2002;83:1902-1916.

Srinivas G, Yethiraj A, Bagchi B. Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain. Journal of Chemical PhysicsJournal of Chemical Physics. 2001;114:9170-9178.

Yethiraj A. Osmotic pressure of isotropic solutions of rodlike polymers. Journal of Chemical Physics. 2003;118:3904-3905.

Chang R, Yethiraj A. Osmotic pressure of salt-free polyelectrolyte solutions: A Monte Carlo simulation study. MacromoleculesMacromolecules. 2005;38:607-616.

Yethiraj A. Polymer melts at solid surfaces. Advances in Chemical Physics. 2002;121:89-139.

Miyazaki K, Bagchi B, Yethiraj A. Self-consistent mode-coupling theory for the viscosity of rodlike polyelectrolyte solutions. Journal of Chemical Physics. 2004;121:8120-8127.

Kim JS, Wu Z, Morrow AR, Yethiraj A, Yethiraj A. Self-Diffusion and Viscosity in Electrolyte Solutions. Journal of Physical Chemistry B. 2012;116:12007-12013.

Muller M, MacDowell LG, Yethiraj A. Short chains at surfaces and interfaces: A quantitative comparison between density-functional theories and Monte Carlo simulations. Journal of Chemical Physics. 2003;118:2929-2940.

Chang RW, Yethiraj A. Solvent effects on the collapse dynamics of polymers. Journal of Chemical PhysicsJournal of Chemical Physics. 2001;114:7688-7699.

Chang RW, Yethiraj A. Strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. Journal of Chemical Physics. 2003;118:6634-6647.

Kalyuzhnyi YV, Lin CT, Stell G, Yethiraj A. Structural and thermodynamic properties of a freely-jointed Yukawa hard-sphere chain fluid. Journal of Molecular Liquids. 2001;92:85-96.

Patra CN, Chang R, Yethiraj A. Structure of polyelectrolyte solutions at a charged surface. Journal of Physical Chemistry BJournal of Physical Chemistry B. 2004;108:9126-9132.

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